(3S)-3-azaniumyl-3-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-bromo-4-hexoxy-5-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-bromo-4-hexoxy-5-methoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-bromo-4-hexoxy-5-methoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-bromo-4-hexoxy-5-methoxy-phenyl)propionate Formula: C16H24BrNO4 MolecularWeight: 374.27006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)[C@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C16H24BrNO4/c1-3-4-5-6-7-22-16-12(17)8-11(9-14(16)21-2)13(18)10-15(19)20/h8-9,13H,3-7,10,18H2,1-2H3,(H,19,20)/t13-/m0/s1